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ALA4759058 Name:
(R)-Ketamine
Mol. Formula:
C14H17ClO
M.W.:
236.74
Type:
Unknown
AlogP:
4.13
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
Type:
Small molecule
AlogP:
3.73
Polar Surface Area:
73.80
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4755560 Name:
NA
Mol. Formula:
C15H13N
M.W.:
207.28
Type:
Unknown
AlogP:
2.98
Polar Surface Area:
12.03
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.70
DETAILS
CLOSE
ALA5273904 Name:
1-(9H-carbazol-9-yl)-3-(2-ethyl-8-methyl-1,2,3,4-t
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Mol. Formula:
C29H31N3O
M.W.:
437.59
Type:
---
AlogP:
5.50
Polar Surface Area:
33.33
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5271629 Name:
1-(9H-carbazol-9-yl)-3-(2,8-dimethyl-1,2,3,4-tetra
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Mol. Formula:
C28H29N3O
M.W.:
423.56
Type:
---
AlogP:
5.11
Polar Surface Area:
33.33
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5208606 Name:
2-((6S)-9-bromo-6-methyl-2,3-dioxo-1,2,3,5,6,7-hex
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Mol. Formula:
C14H13BrN2O4
M.W.:
353.17
Type:
---
AlogP:
1.66
Polar Surface Area:
92.16
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5208012 Name:
2-((6S)-9-bromo-6-methyl-2,3-dioxo-1,2,3,5,6,7-hex
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Mol. Formula:
C20H18BrN3O3
M.W.:
428.29
Type:
---
AlogP:
3.21
Polar Surface Area:
83.96
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5202551 Name:
N1-(1-phenylcyclohexyl)hexane-1,6-diamine dihydroc
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Mol. Formula:
C18H32Cl2N2
M.W.:
347.37
Type:
---
AlogP:
3.95
Polar Surface Area:
38.05
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5185347 Name:
2-((6S)-9-bromo-6-ethyl-2,3-dioxo-1,2,3,5,6,7-hexa
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Mol. Formula:
C15H15BrN2O4
M.W.:
367.20
Type:
---
AlogP:
2.05
Polar Surface Area:
92.16
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA5184678 Name:
4-((3-(((1r,3R,5S,7r)-3,5-dimethyladamantan-1-yl)a
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Mol. Formula:
C22H28N2O3
M.W.:
368.48
Type:
---
AlogP:
3.68
Polar Surface Area:
78.43
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4443742 Name:
3-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3
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Mol. Formula:
C26H30F3N5O
M.W.:
485.55
Type:
Unknown
AlogP:
4.63
Polar Surface Area:
44.09
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4440079 Name:
3,6-dimethyl-9-[8-methyl-2-(trifluoromethyl)imidaz
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Mol. Formula:
C23H24F3N3
M.W.:
399.46
Type:
Unknown
AlogP:
6.39
Polar Surface Area:
20.54
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3219497 Name:
(S)-5-(aminomethyl)piperazine-2,3-dione
Mol. Formula:
C5H9N3O2
M.W.:
143.15
Type:
Small molecule
AlogP:
-2.44
Polar Surface Area:
84.22
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA3219496 Name:
3-(3-(ethylamino)propanamido)propanoic acid
Mol. Formula:
C8H16N2O3
M.W.:
188.23
Type:
Small molecule
AlogP:
-0.42
Polar Surface Area:
78.43
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3219495 Name:
(R)-2-(2-aminoethylamino)propanoic acid
Mol. Formula:
C5H12N2O2
M.W.:
132.16
Type:
Small molecule
AlogP:
-0.99
Polar Surface Area:
75.35
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA2346959 Name:
amino(2-(4-(methoxycarbonyl)benzylidene)hydrazinyl
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Mol. Formula:
C10H13ClN4O2
M.W.:
256.69
Type:
Small molecule
AlogP:
0.29
Polar Surface Area:
100.56
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA2346958 Name:
amino(2-(3-(methoxycarbonyl)benzylidene)hydrazinyl
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Mol. Formula:
C10H13ClN4O2
M.W.:
256.69
Type:
Small molecule
AlogP:
0.29
Polar Surface Area:
100.56
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA2346957 Name:
amino(2-(4-cyanobenzylidene)hydrazinyl)methanimini
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Mol. Formula:
C9H10ClN5
M.W.:
223.67
Type:
Small molecule
AlogP:
0.38
Polar Surface Area:
98.05
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA2346956 Name:
amino(2-(3-cyanobenzylidene)hydrazinyl)methanimini
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Mol. Formula:
C9H10ClN5
M.W.:
223.67
Type:
Small molecule
AlogP:
0.38
Polar Surface Area:
98.05
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA2346955 Name:
amino(2-(4-tert-butylbenzylidene)hydrazinyl)methan
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Mol. Formula:
C12H19ClN4
M.W.:
254.76
Type:
Small molecule
AlogP:
1.80
Polar Surface Area:
74.26
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
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